REMARK Name = BDB003463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.549 -2.144 2.421 0.00 0.00 -0.256 N ATOM 2 C LIG 1 -1.553 -1.255 2.129 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -1.895 -0.664 3.341 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -2.870 0.335 3.359 0.00 0.00 +0.123 A ATOM 5 N LIG 1 -3.475 0.722 2.204 0.00 0.00 -0.251 NA ATOM 6 C LIG 1 -3.134 0.127 1.027 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -1.081 -1.313 4.292 0.00 0.00 +0.144 A ATOM 8 C LIG 1 -2.180 -0.888 0.944 0.00 0.00 +0.175 A ATOM 9 F LIG 1 -1.889 -1.488 -0.218 0.00 0.00 -0.201 F ATOM 10 N LIG 1 -0.286 -2.237 3.747 0.00 0.00 -0.178 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.827 0.623 -0.165 0.00 0.00 +0.086 A ATOM 12 C LIG 1 -5.216 0.565 -0.314 0.00 0.00 +0.060 A ATOM 13 N LIG 1 -5.822 1.010 -1.448 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -5.049 1.524 -2.410 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -3.720 1.629 -2.371 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -3.139 1.161 -1.250 0.00 0.00 +0.232 A BRANCH 12 17 ATOM 17 C LIG 1 -6.118 -0.037 0.754 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -7.604 0.249 0.780 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -6.711 0.865 1.813 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -1.770 1.288 -1.141 0.00 0.00 -0.416 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.136 1.353 -2.404 0.00 0.00 +0.542 C ATOM 22 F LIG 1 0.193 1.529 -2.170 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -1.245 0.144 -3.013 0.00 0.00 -0.166 F ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 6 11 BRANCH 1 24 ATOM 24 C LIG 1 0.231 -2.936 1.476 0.00 0.00 +0.179 C BRANCH 24 28 ATOM 25 C LIG 1 3.575 -0.614 -0.018 0.00 0.00 +0.017 A ATOM 26 C LIG 1 2.406 -0.747 -0.776 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.336 -1.515 -0.309 0.00 0.00 +0.006 A ATOM 28 C LIG 1 1.403 -2.148 0.940 0.00 0.00 -0.026 A ATOM 29 C LIG 1 2.564 -1.994 1.711 0.00 0.00 +0.006 A ATOM 30 C LIG 1 3.635 -1.232 1.237 0.00 0.00 +0.012 A BRANCH 25 32 ATOM 31 N LIG 1 5.337 0.075 -1.707 0.00 0.00 -0.318 N ATOM 32 C LIG 1 4.712 0.184 -0.480 0.00 0.00 +0.142 A ATOM 33 N LIG 1 5.331 1.093 0.254 0.00 0.00 -0.224 NA ATOM 34 C LIG 1 6.341 1.636 -0.526 0.00 0.00 +0.162 A ATOM 35 C LIG 1 6.350 1.000 -1.753 0.00 0.00 +0.121 A BRANCH 34 36 ATOM 36 C LIG 1 7.239 2.732 -0.031 0.00 0.00 +0.436 C ATOM 37 F LIG 1 7.877 2.400 1.122 0.00 0.00 -0.164 F ATOM 38 F LIG 1 6.567 3.889 0.202 0.00 0.00 -0.164 F ATOM 39 F LIG 1 8.216 3.030 -0.934 0.00 0.00 -0.164 F ENDBRANCH 34 36 BRANCH 31 40 ATOM 40 C LIG 1 5.077 -0.907 -2.751 0.00 0.00 +0.211 C BRANCH 40 42 ATOM 41 C LIG 1 3.605 0.098 -4.740 0.00 0.00 +0.005 C ATOM 42 C LIG 1 4.270 -0.355 -3.848 0.00 0.00 -0.084 C ENDBRANCH 40 42 ENDBRANCH 31 40 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 10